Vitas-M small molecule compound

ethyl 7-(phenylsulfanyl)-6-[(prop-2-en-1-ylamino)methyl]-2-{2-[(prop-2-en-1-ylamino)methyl]-1H-pyrrol-1-yl}-4,5-dihydro-1-benzothiophene-3-carboxylate

Catalog ID
STK280231
SMILES C=CCNCC1=C(Sc2ccccc2)c2c(CC1)c(c(s2)n1cccc1CNCC=C)C(=O)OCC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C29H33N3O2S2 MW 519.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O2S2/c1-4-16-30-19-21-14-15-24-25(29(33)34-6-3)28(32-18-10-11-22(32)20-31-17-5-2)36-27(24)26(21)35-23-12-8-7-9-13-23/h4-5,7-13,18,30-31H,1-2,6,14-17,19-20H2,3H3
InChIKey
LBWPDTVKRQZVCP-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCC(=C2SC3=CC=CC=C3)CNCC=C)N4C=CC=C4CNCC=C
ethyl7(phenylsulfanyl)6((prop2en1ylamino)methyl)2(2((prop2en1ylamino)methyl)1Hpyrrol1yl)45dihydro1benzothiophene3carboxylate
ethyl7phenylsulfanyl6((prop2enylamino)methyl)2(2((prop2enylamino)methyl)pyrrol1yl)45dihydro1benzothiophene3carboxylate
InChI=1SC29H33N3O2S2c141630192114152425(29(33)3463)28(3218101122(32)20311752)3627(24)26(21)3523128791323h45713183031H12614171920H23H3
MFCD00769238
ZINC000057263041
ZINC57263041

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Available files

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